CAS No.30562-09-5,(Z,E)-9,11-TDDA Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	30562-09-5
Name:	(Z,E)-9,11-TDDA
Article Data:	5

Formula:	C₁₆H₂₈O₂
Molecular Weight:	252.397
Synonyms:	9,11-Tetradecadien-1-ol,acetate, (9E,11Z)- (9CI);9,11-Tetradecadien-1-ol, acetate, (Z,E)- (8CI);trans-9,cis-11-Tetradecadienyl acetate;(9E,11Z)-tetradeca-9,11-dien-1-yl acetate;9,11-Tetradecadien-1-ol, acetate, (9E,11Z)-;
EINECS:	250-242-8
Density:	0.89 g/cm³
Boiling Point:	378 °C at 760 mmHg
Flash Point:	107.1 °C
Appearance:	COLORLESS LIQUID
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	26.30000
LogP:	4.80260

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- China (Mainland)(9)
- United Kingdom(1)
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Specification

The 9,11-Tetradecadien-1-ol,1-acetate, (9E,11Z)-, with the CAS registry number 30562-09-5 and EINECS registry number 250-242-8, has the systematic name of (9E,11Z)-tetradeca-9,11-dien-1-yl acetate. And the molecular formula of this chemical is C₁₆H₂₈O₂. Besides, it should be stored at -20°C.

The physical properties of 9,11-Tetradecadien-1-ol,1-acetate, (9E,11Z)- are as following: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23252.61; (6)ACD/BCF (pH 7.4): 23252.61; (7)ACD/KOC (pH 5.5): 46462.88; (8)ACD/KOC (pH 7.4): 46462.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 78.06 cm³; (15)Molar Volume: 283.3 cm³; (16)Polarizability: 30.94×10^-24cm³; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.89 g/cm³; (19)Flash Point: 107.1 °C; (20)Enthalpy of Vaporization: 62.59 kJ/mol; (21)Boiling Point: 378 °C at 760 mmHg; (22)Vapour Pressure: 6.47E-06 mmHg at 25°C.

Preparation of 9,11-Tetradecadien-1-ol,1-acetate, (9E,11Z)-: This chemical can be prepared by acetyl chloride and 1-(tetrahydro-2H-pyran-2-yl)oxy 9, 11-tetradecadiene. The reaction will need solvent acetic acid. The reaction time is 15 hours with temperature of 35-40°C, and the yield is about 55%.

9,11-Tetradecadien-1-ol,1-acetate, (9E,11Z)- can be prepared by acetyl chloride and 1-(tetrahydro-2H-pyran-2-yl)oxy 9, 11-tetradecadiene

Uses of 9,11-Tetradecadien-1-ol,1-acetate, (9E,11Z)-: It can be used to produce tetradeca-9c,11t-dien-1-ol. This reaction will need reagents KOH and H₂O, and the solvent ethanol. The reaction time is 5 hours, and the yield is about 85%.

9,11-Tetradecadien-1-ol,1-acetate, (9E,11Z)- can be used to produce tetradeca-9c,11t-dien-1-ol

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCC\C=C\C=C/CC)C
(2)InChI: InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4-,7-6+
(3)InChIKey: RFEQLTBBKNKGGJ-SCFJQAPRBY